Research workbench

Azurin 122W/124F/126RE

Analyse Azurin 122W/124F/126RE in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6MJR
Type: protein
Length: 512 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Azurin
UniProt: P00282
Ligands: REQ, CU
Pockets: 3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Azurin	protein	128	21% helix, 34% strand	P00282

Ligands and binding sites

REQ · (1,10 phenanthroline)-(tri-carbon monoxide) rhenium (I) · ligand · 4 copies · chains A, C, B, D
CU · Copper (II) ion · metal · 4 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	820	0.75	0.80	111	REQ
2	388	0.63	0.78	61	empty
3	71	0.56	0.88	16	empty

Interfaces

5 interfaces between chains.

B–C · 407 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 372 Å² buried · 3 hydrogen bonds · protein-protein
A–C · 301 Å² buried · 2 hydrogen bonds · protein-protein
C–D · 234 Å² buried · 5 hydrogen bonds · protein-protein
A–D · 80 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6MJR · Azurin 122W/124F/126Re · the same entry in another collection · chain D against D, TM-score 1.00
P00282 · AlphaFold monomer V2.0 prediction for azurin (P00282) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P00282
Elsewhere: RCSB PDB 6MJR · PDBe 6MJR · UniProt P00282

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